(1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)-
TL;DR: (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)- (CAS 65355-36-4) is a chemical compound with molecular formula C18H31N and molecular weight 261.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
Also Known As: 4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile, KST-1A7438, [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-pentyl-, (trans,trans)-, (trans,trans)-4'-Pentyl-[1,1'-bi(cyclohexane)]-4-carbonitrile, [1,1'-bicyclohexyl]-4-carbonitrile, 4'-pentyl-
| Molecular Formula | C18H31N |
|---|---|
| Molecular Weight | 261.25 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.24564 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 65355-36-4 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C2CCC(CC2)C#N |
| InChIKey | HWMHRQOJZXBQBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)- (CAS 65355-36-4), with molecular formula C18H31N and molecular weight 261.25 g/mol. IUPAC: 4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile.
Chemical Property Profile of (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)-
Property Insights of (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)-
The XLogP value of 6.9 indicates that (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)-?
The CAS number of (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)- is 65355-36-4.
What is the molecular formula of (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)-?
The molecular formula of (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)- is C18H31N.
What is the molecular weight of (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)-?
The molecular weight of (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)- is 261.25 g/mol.
Where can I buy (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)-?
You can request a quote for (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)-?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-pentyl-, (trans,trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.